2-[2-[(4-ethylphenyl)methyl]-4-fluoranyl-phenoxy]-6-(hydroxymethyl)thiane-3,4,5-triol

Systemtic Name: 2-[2-[(4-ethylphenyl)methyl]-4-fluoranyl-phenoxy]-6-(hydroxymethyl)thiane-3,4,5-triol Openeye Name: 2-[2-[(4-ethylphenyl)methyl]-4-fluoro-phenoxy]-6-(hydroxymethyl)tetrahydrothiopyran-3,4,5-triol CAS Name: 2-[2-[(4-ethylphenyl)methyl]-4-fluorophenoxy]-6-(hydroxymethyl)thiane-3,4,5-triol IUPAC Name: 2-[2-[(4-ethylphenyl)methyl]-4-fluorophenoxy]-6-(hydroxymethyl)thiane-3,4,5-triol Traditional Name: 2-[2-(4-ethylbenzyl)-4-fluoro-phenoxy]-6-methylol-tetrahydrothiopyran-3,4,5-triol Formula: C21H25FO5S MolecularWeight: 408.483603

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CC2=C(C=CC(=C2)F)OC3C(C(C(C(S3)CO)O)O)O

Isomeric SMILES

CCC1=CC=C(C=C1)CC2=C(C=CC(=C2)F)OC3C(C(C(C(S3)CO)O)O)O

InChI

InChI=1S/C21H25FO5S/c1-2-12-3-5-13(6-4-12)9-14-10-15(22)7-8-16(14)27-21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3